1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride

C16H24ClNO — CID 14372

IUPAC1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
SMILESCCCC(C(=O)c1ccc(C)cc1)N1CCCC1.Cl
InChIInChI=1S/C16H23NO.ClH/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14;/h7-10,15H,3-6,11-12H2,1-2H3;1H
InChIKeyMWRACNBZNVAJHE-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.86
Rot. Bonds5

About 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride

1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride (PubChem CID 14372) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
PubChem CID14372
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
SMILESCCCC(C(=O)c1ccc(C)cc1)N1CCCC1.Cl
InChIInChI=1S/C16H23NO.ClH/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14;/h7-10,15H,3-6,11-12H2,1-2H3;1H
InChIKeyMWRACNBZNVAJHE-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride (CID 14372) is 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride is CCCC(C(=O)c1ccc(C)cc1)N1CCCC1.Cl.
What is the InChIKey of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride?
The InChIKey is MWRACNBZNVAJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.ClH/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14;/h7-10,15H,3-6,11-12H2,1-2H3;1H.
What are the key properties of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride?
1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride has a molecular weight of 281.83 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride is sourced from PubChem (CID 14372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).